Detailed information for compound 1086108

Basic information

Technical information
  • TDR Targets ID: 1086108
  • Name: 6-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4 -yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4 -benzothiazin-3-one
  • MW: 478.606 | Formula: C26H30N4O3S
  • H donors: 3 H acceptors: 3 LogP: 2.46 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)c(ccn2)[C@H](CN1CCC(CC1)NCc1ccc2c(c1)NC(=O)CS2)O
  • InChi: 1S/C26H30N4O3S/c1-33-19-3-4-22-21(13-19)20(6-9-27-22)24(31)15-30-10-7-18(8-11-30)28-14-17-2-5-25-23(12-17)29-26(32)16-34-25/h2-6,9,12-13,18,24,28,31H,7-8,10-11,14-16H2,1H3,(H,29,32)/t24-/m0/s1
  • InChiKey: JBXWVEMLTDXSCR-DEOSSOPVSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-[[[1-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]-4-piperidyl]amino]methyl]-4H-1,4-benzothiazin-3-one
  • 6-[[[1-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]-4-piperidinyl]amino]methyl]-4H-1,4-benzothiazin-3-one

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni ap endonuclease 0.0019 0.7668 0.7668
Entamoeba histolytica recQ family DNA helicase 0.0011 0.0381 0.0381
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0022 1 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0022 1 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.7668 0.5
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.7668 1
Trichomonas vaginalis DNA helicase recq, putative 0.0022 1 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0022 1 1
Toxoplasma gondii exonuclease III APE 0.0019 0.7668 0.7668
Loa Loa (eye worm) hypothetical protein 0.0022 1 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.7668 0.5
Echinococcus multilocularis bloom syndrome protein 0.0022 1 1
Schistosoma mansoni DNA helicase recq5 0.0022 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.7668 0.7576
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0022 1 1
Trichomonas vaginalis DNA helicase recq1, putative 0.0022 1 1
Schistosoma mansoni ap endonuclease 0.0019 0.7668 0.7668
Schistosoma mansoni DNA helicase recq1 0.0022 1 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0381 0.0381
Entamoeba histolytica recQ family helicase, putative 0.0022 1 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0022 1 1
Schistosoma mansoni blooms syndrome DNA helicase 0.0011 0.0381 0.0381
Giardia lamblia Sgs1 DNA helicase, putative 0.0022 1 1
Brugia malayi Bloom's syndrome protein homolog 0.0022 1 1
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0011 0.0381 0.0496
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.7668 0.7668
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0022 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.7668 0.5
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0022 1 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0022 1 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.7668 0.7576
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0022 1 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.7668 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0022 1 1
Echinococcus granulosus bloom syndrome protein 0.0022 1 1
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0022 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.7668 0.7576
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0022 1 1
Loa Loa (eye worm) RecQ helicase 0.0022 1 1
Trichomonas vaginalis DNA helicase recq, putative 0.0022 1 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0022 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0381 0.00000000841

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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